SCHEMBL3840933

SCHEMBL3840933

COc1ccc(C(=O)c2ccc(Cl)nc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
RAB9A P51151 3/20 0.55
KMT2A Q03164 4/20 0.54
HPGD P15428 1/20 0.53
NPC1 O15118 3/20 0.51
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2216311 0.85 MAPT (0.57) MAPTRAB9AKMT2AHPGDNPC1
SCHEMBL3840296 0.83 CDK5 (0.52) MAPTRAB9AKMT2ANPC1HTT
SCHEMBL3837825 0.80 LTA4H (0.43) MAPTRAB9AKMT2ANPC1MAPK1
SCHEMBL27682344 0.79 BTK (0.42) MAPTRAB9ANPC1HTTTUBB4A
SCHEMBL17868339 0.77 NPC1 (0.55) MAPTRAB9AKMT2AHPGDNPC1
SCHEMBL3835745 0.75 MAPK14 (0.50) POLBLMNARXFP1CDK5CDK5R1
SCHEMBL11013824 0.75 HPGD (0.54) MAPTRAB9AKMT2AHPGDNPC1
SCHEMBL2679986 0.75 KMT2A (0.55) MAPTRAB9AKMT2AHPGDNPC1
SCHEMBL30574108 0.75 MAPT (0.73) MAPTRAB9AKMT2AHPGDNPC1
SCHEMBL28015863 0.75 MAPT (0.73) MAPTRAB9AKMT2AHPGDNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771420-B1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
EP-1771420-B1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
US-7423051-B2 2,6-diaminopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
US-7423051-B2 2,6-diaminopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
US-7423051-B2 2,6-diaminopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
EP-1771420-A1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-11 EP disclosed
US-20060014708-A1 2,6-Diaminopyridine derivatives BARTKOVITZ DAVID J 2006-01-19 US disclosed
WO-2006005548-A1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060014708-A1 2,6-Diaminopyridine derivatives CDK2, CCNA2, CDK6 MAPT 4505/4885RAB9A 3307/4885KMT2A 1011/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.